skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BiOF by Materials Project

Abstract

BiOF crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.34 Å. There are one shorter (2.28 Å) and one longer (2.44 Å) Bi–F bond lengths. In the second Bi3+ site, Bi3+ is bonded to three O2- and four F1- atoms to form a mixture of distorted edge and corner-sharing BiO3F4 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.18–2.25 Å. There are a spread of Bi–F bond distances ranging from 2.51–2.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three Bi3+ atoms.

Publication Date:
Other Number(s):
mp-760162
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BiOF; Bi-F-O
OSTI Identifier:
1291585
DOI:
10.17188/1291585

Citation Formats

The Materials Project. Materials Data on BiOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291585.
The Materials Project. Materials Data on BiOF by Materials Project. United States. doi:10.17188/1291585.
The Materials Project. 2020. "Materials Data on BiOF by Materials Project". United States. doi:10.17188/1291585. https://www.osti.gov/servlets/purl/1291585. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291585,
title = {Materials Data on BiOF by Materials Project},
author = {The Materials Project},
abstractNote = {BiOF crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.34 Å. There are one shorter (2.28 Å) and one longer (2.44 Å) Bi–F bond lengths. In the second Bi3+ site, Bi3+ is bonded to three O2- and four F1- atoms to form a mixture of distorted edge and corner-sharing BiO3F4 pentagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.18–2.25 Å. There are a spread of Bi–F bond distances ranging from 2.51–2.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three Bi3+ atoms.},
doi = {10.17188/1291585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: